5-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C23H20N4O3 — CID 46973774

IUPAC5-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1N1CC(c2cc(=O)n3[nH]cc(-c4ccccc4)c3n2)CC1=O
InChIInChI=1S/C23H20N4O3/c1-30-20-10-6-5-9-19(20)26-14-16(11-21(26)28)18-12-22(29)27-23(25-18)17(13-24-27)15-7-3-2-4-8-15/h2-10,12-13,16,24H,11,14H2,1H3
InChIKeyVLXUQIHMBLCHHE-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.22
Rot. Bonds4

About 5-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46973774) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 5-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46973774
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name5-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1N1CC(c2cc(=O)n3[nH]cc(-c4ccccc4)c3n2)CC1=O
InChIInChI=1S/C23H20N4O3/c1-30-20-10-6-5-9-19(20)26-14-16(11-21(26)28)18-12-22(29)27-23(25-18)17(13-24-27)15-7-3-2-4-8-15/h2-10,12-13,16,24H,11,14H2,1H3
InChIKeyVLXUQIHMBLCHHE-UHFFFAOYSA-N
XLogP3.22
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46973774) is 5-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccccc1N1CC(c2cc(=O)n3[nH]cc(-c4ccccc4)c3n2)CC1=O.
What is the InChIKey of 5-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VLXUQIHMBLCHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-30-20-10-6-5-9-19(20)26-14-16(11-21(26)28)18-12-22(29)27-23(25-18)17(13-24-27)15-7-3-2-4-8-15/h2-10,12-13,16,24H,11,14H2,1H3.
What are the key properties of 5-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 400.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46973774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).